B3BH7W
-OEChem-04012118452D
31 33 0 0 0 0 0 0 0999 V2000
4.6318 -1.9212 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 1.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 3.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.7242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 -0.4326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 -1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 -2.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 -1.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9209 -3.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5673 -2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8994 -3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3751 -0.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9684 -0.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3815 0.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.7189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6707 -1.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5069 -3.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1739 -2.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0920 -3.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
2 9 2 0 0 0 0
3 10 2 0 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
4 9 1 0 0 0 0
5 7 1 0 0 0 0
5 13 1 0 0 0 0
5 24 1 0 0 0 0
6 8 1 0 0 0 0
6 11 2 0 0 0 0
7 21 1 0 0 0 0
7 22 1 0 0 0 0
8 10 1 0 0 0 0
8 12 2 0 0 0 0
9 10 1 0 0 0 0
11 14 1 0 0 0 0
11 23 1 0 0 0 0
12 15 1 0 0 0 0
12 25 1 0 0 0 0
13 16 1 0 0 0 0
13 17 2 0 0 0 0
14 15 2 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
16 18 2 0 0 0 0
17 19 1 0 0 0 0
17 28 1 0 0 0 0
18 20 1 0 0 0 0
18 29 1 0 0 0 0
19 20 2 0 0 0 0
19 30 1 0 0 0 0
20 31 1 0 0 0 0
M END
$$$$